SCHEMBL17200073

SCHEMBL17200073

CCc1nc(N[C@H](CN2CCC2)c2ccccc2)c2cccc(C(N)=O)c2n1.Cc1nc(N[C@H](CN2CCC2)c2ccc(Cl)cc2)c2cccc(C(N)=O)c2n1.Cc1nc(N[C@H](CN2CCC2)c2ccccc2)c2cccc(C(N)=O)c2n1

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
RPS6KB1 P23443 16/20 0.61
AURKB Q96GD4 13/20 0.58
AURKA O14965 1/20 0.58
AKT1 P31749 16/20 0.57
INCENP Q9NQS7 12/20 0.57

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10093522 0.94 AKT1 (0.61) RPS6KB1AURKBAURKAAKT1INCENP
SCHEMBL14983864 0.92 AKT1 (0.63) RPS6KB1AURKBAURKAAKT1INCENP
SCHEMBL10093517 0.92 AKT1 (0.63) RPS6KB1AURKBAURKAAKT1INCENP
SCHEMBL14983863 0.91 RPS6KB1 (0.72) RPS6KB1AURKBAURKAAKT1INCENP
SCHEMBL10093514 0.91 RPS6KB1 (0.72) RPS6KB1AURKBAURKAAKT1INCENP
SCHEMBL10093521 0.89 RPS6KB1 (0.74) RPS6KB1AURKBAURKAAKT1INCENP
SCHEMBL14983861 0.89 RPS6KB1 (0.74) RPS6KB1AURKBAURKAAKT1INCENP
SCHEMBL17200076 0.88 AKT1 (0.55) RPS6KB1AURKBAURKAAKT1INCENP
SCHEMBL10093519 0.87 RPS6KB1 (0.74) RPS6KB1AURKBAURKAAKT1INCENP
SCHEMBL17200084 0.86 AKT1 (0.56) RPS6KB1AURKBAURKAAKT1INCENP

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2598492-B1 BICYCLIC AZAHETEROCYCLIC CARBOXAMIDES AS INHIBITORS OF THE KINASE P70S6K MERCK PATENT GMBH (DE) 2015-10-28 EP claimed